REMARK  Name = BDB043941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.298  -1.909   0.710  0.00  0.00    +0.022 C 
ATOM      2  C   LIG    1       -1.534  -1.549   0.336  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -2.081  -0.310  -0.226  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -3.447  -0.554  -0.423  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -4.308   0.390  -0.947  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -3.765   1.632  -1.285  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -2.396   1.889  -1.090  0.00  0.00    +0.042 A 
ATOM      8 CL   LIG    1       -1.760   3.432  -1.518  0.00  0.00    -0.084 Cl
ATOM      9  N   LIG    1       -3.781  -1.844  -0.021  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -4.699  -2.260  -0.061  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -1.540   0.920  -0.557  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -2.675  -2.526   0.459  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1       -2.636  -3.662   0.889  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     14  C   LIG    1        3.148   0.629   0.593  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1        2.829  -0.138  -0.527  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1        1.709  -0.979  -0.507  0.00  0.00    +0.028 A 
ATOM     17 BR   LIG    1        1.340  -1.986  -2.078  0.00  0.00    -0.050 Br
ATOM     18  C   LIG    1        0.894  -1.061   0.633  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1        1.224  -0.291   1.754  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        2.342   0.547   1.730  0.00  0.00    +0.046 A 
BRANCH  14  22
ATOM     21  C   LIG    1        5.061   1.614  -0.423  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        4.205   1.489   0.706  0.00  0.00    -0.495 OA
ENDBRANCH  14  22
ENDBRANCH   1  18
TORSDOF 2